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	hartrees
Energy at 0K	-260.910506
Energy at 298.15K
HF Energy	-260.634329
Nuclear repulsion energy	127.045136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3569	3569	27.66
2	A'	1678	1678	65.72
3	A'	1387	1387	218.93
4	A'	1023	1023	22.31
5	A'	841	841	229.16
6	A'	741	741	62.29
7	A'	659	659	60.93
8	A"	3699	3699	37.70
9	A"	1704	1704	254.86
10	A"	1282	1282	52.77
11	A"	576	576	2.22
12	A"	423	423	29.51

Atom	x (Å)	y (Å)	z (Å)
N1	0.086	-1.250	0.000
N2	0.002	0.145	0.000
O3	0.002	0.684	1.095
O4	0.002	0.684	-1.095
H5	-0.321	-1.608	-0.852
H6	-0.321	-1.608	0.852

	N1	N2	O3	O4	H5	H6
N1		1.3976	2.2242	2.2242	1.0099	1.0099
N2	1.3976		1.2207	1.2207	1.9756	1.9756
O3	2.2242	1.2207		2.1907	3.0247	2.3271
O4	2.2242	1.2207	2.1907		2.3271	3.0247
H5	1.0099	1.9756	3.0247	2.3271		1.7040
H6	1.0099	1.9756	2.3271	3.0247	1.7040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O3	116.142	N1	N2	O4	116.142
N2	N1	H5	109.228	N2	N1	H6	109.228
O3	N2	O4	127.613	H5	N1	H6	115.058

All results from a given calculation for NH₂NO₂ (nitramide)

using model chemistry: B2PLYP=FULLultrafine/6-311G*

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for NH2NO2 (nitramide)

using model chemistry: B2PLYP=FULLultrafine/6-311G*

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for NH₂NO₂ (nitramide)